C304-1279 Screening compound: ethyl 4-[(11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

C304-1279 Screening compound: ethyl 4-[(11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate
C304-1279 Screening compound: ethyl 4-[(11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1279
ethyl 4-[(11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C304-1279

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

ethyl 4-[(11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)carbonyl]tetrahydro-1(2H)-pyrazinecarboxylate

IUPAC name

ethyl 4-{10-ethyl-13-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carbonyl}piperazine-1-carboxylate

SMILES

CCC1=Nc(cc(cc2)C(N(CC3)CCN3C(OCC)=O)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C24H27N3O3S/c1-4-19-18-14-16(3)6-8-21(18)31-22-9-7-17(15-20(22)25-19)23(28)26-10-12-27(13-11-26)24(29)30-5-2/h6-9,14-15H,4-5,10-13H2,1-3H3

InChI Key

PMKZQRQLJRBVPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.439

Water Solubility, LogSw

-4.24

Polar Surface Area

47.659

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C304-1279 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C304-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1279?
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What is the minimum amount of C304-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1279
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C304-1279 available by request